477313-47-6
2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3,4-DICHLOROPHENYL)ACETAMIDE
Name2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3,4-DICHLOROPHENYL)ACETAMIDE
pro_formulaC24 H18 Cl3 N3 O2 S2
1Identification
【Name】
2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3,4-DICHLOROPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03223939
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H18 Cl3 N3 O2 S2
【pro_molWeight】
550.916
【Inchi】
InChI=1S/C24H18Cl3N3O2S2/c25-13-5-8-15(9-6-13)30-23(32)21-16-3-1-2-4-19(16)34-22(21)29-24(30)33-12-20(31)28-14-7-10-17(26)18(27)11-14/h5-11H,1-4,12H2,(H,28,31)
【InChIKey】
InChIKey=PPZHFHXMLFIUBR-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1n2c(=O)c3c4c(sc3nc2SCC(=O)Nc5ccc(c(c5)Cl)Cl)CCCC4)Cl
【MOL File】
2-[[3-(4-CHLOROPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:7.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL]-N-(3,4-DICHLOROPHENYL)ACETAMIDE.cml